Oleoyl-CoA
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-9-enethioate
Also Known As: oleoyl-CoA|Oleoyl coenzyme A|Oleoyl-coenzyme A|S-Oleoylcoenzyme A|S-oleoyl-CoA|cis-9-Octadecenoyl-CoA|Oleyl coenzyme A|Oleyl-CoA|coenzyme A, oleoyl-|oleyl-coenzyme A|Oleoyl CoA|9-Octadecenoyl-CoA|Coenzyme A oleate|(9Z)-Octadecenoyl-CoA|9Z-octadecenoyl-CoA|[14C]oleoyl-CoA|(9Z)-octadec-9-enoyl-CoA|9H-purin-6-amine,|cis-9-octadecenoyl-coenzyme A|[14C]Oleyl-CoA|Coenzyme A, S-oleate|9-Octadecenoyl-coenzyme A|cis-Delta(9)-octadecenoyl-CoA|cis-9-Octadecenoyl coenzyme A|o-beta-D-ribofuranosyl]-|(9Z)-octadec-9-enoyl-coenzyme A|[14C] oleoyl coenzyme A|Coenzyme A cis-9-octadecenoate|cis-Delta(9)-octadecenoyl-coenzyme A|S-[(9Z)-octadec-9-enoyl]-CoA|Oleoyl coenzyme A potassium salt|GTPL2386|EINECS 216-998-8|S-[(9Z)-octadec-9-enoyl]-coenzyme A|Octadecenoyl-CoA (n-C18:1CoA)|Coenzyme A, S-(9Z)-9-octadecenoate
| Molecular Formula | C39H68N7O17P3S |
|---|---|
| Molecular Weight | 1031.3605 g/mol |
| LogP | 4.7022 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 34 |
| Exact Mass | 1031.3605 |
| Monoisotopic Mass | 1031.3605 |
| Heavy Atoms | 67 |
| Complexity | 2043.3339 |
Chemical Identifiers
| CAS Number | 369657-01-2 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Product Overview
Oleoyl-CoA (CAS 369657-01-2), with molecular formula C39H68N7O17P3S and molecular weight 1031.3605 g/mol. IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (Z)-octadec-9-enethioate.